4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide

C17H14N6O2 — CID 123563663

IUPAC4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide
SMILESCc1ccc(Nc2ncc(-c3coc(C(N)=O)c3)n3ncnc23)cc1
InChIInChI=1S/C17H14N6O2/c1-10-2-4-12(5-3-10)22-16-17-20-9-21-23(17)13(7-19-16)11-6-14(15(18)24)25-8-11/h2-9H,1H3,(H2,18,24)(H,19,22)
InChIKeyPRZOXGMNRGGYSB-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.54
Rot. Bonds4

About 4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide

4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide (PubChem CID 123563663) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide
PubChem CID123563663
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide
SMILESCc1ccc(Nc2ncc(-c3coc(C(N)=O)c3)n3ncnc23)cc1
InChIInChI=1S/C17H14N6O2/c1-10-2-4-12(5-3-10)22-16-17-20-9-21-23(17)13(7-19-16)11-6-14(15(18)24)25-8-11/h2-9H,1H3,(H2,18,24)(H,19,22)
InChIKeyPRZOXGMNRGGYSB-UHFFFAOYSA-N
XLogP2.54
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide?
The IUPAC name of 4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide (CID 123563663) is 4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide.
What is the SMILES notation for 4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide?
The canonical SMILES for 4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide is Cc1ccc(Nc2ncc(-c3coc(C(N)=O)c3)n3ncnc23)cc1.
What is the InChIKey of 4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide?
The InChIKey is PRZOXGMNRGGYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-10-2-4-12(5-3-10)22-16-17-20-9-21-23(17)13(7-19-16)11-6-14(15(18)24)25-8-11/h2-9H,1H3,(H2,18,24)(H,19,22).
What are the key properties of 4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide?
4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 123563663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).